(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate

C19H28O4 — CID 141485230

IUPAC(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate
SMILESC=CC(=O)OC1CCCCC1(OC(=O)C(=C)C)C1CCCCC1
InChIInChI=1S/C19H28O4/c1-4-17(20)22-16-12-8-9-13-19(16,23-18(21)14(2)3)15-10-6-5-7-11-15/h4,15-16H,1-2,5-13H2,3H3
InChIKeyUJVJOIXKDSZYCF-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.10
Rot. Bonds5

About (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate

(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate (PubChem CID 141485230) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate
PubChem CID141485230
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate
SMILESC=CC(=O)OC1CCCCC1(OC(=O)C(=C)C)C1CCCCC1
InChIInChI=1S/C19H28O4/c1-4-17(20)22-16-12-8-9-13-19(16,23-18(21)14(2)3)15-10-6-5-7-11-15/h4,15-16H,1-2,5-13H2,3H3
InChIKeyUJVJOIXKDSZYCF-UHFFFAOYSA-N
XLogP4.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
(2,2-dihydroxycyclohexyl) prop-2-enoate
CID 156755647
spiro[4.6]undecan-4-yl prop-2-enoate
CID 164546838
(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate
CID 175512236
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate
CID 58844002
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
(1-cycloheptyl-4-oxocycloheptyl) 2-methylprop-2-enoate
CID 139903733
[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate
CID 160667012

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate (CID 141485230) is (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate is C=CC(=O)OC1CCCCC1(OC(=O)C(=C)C)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate?
The InChIKey is UJVJOIXKDSZYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-4-17(20)22-16-12-8-9-13-19(16,23-18(21)14(2)3)15-10-6-5-7-11-15/h4,15-16H,1-2,5-13H2,3H3.
What are the key properties of (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate?
(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate has a molecular weight of 320.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 141485230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).